HRID688954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15053

2-Aminomethyl-1,4-benzodioxane

C9H11NO2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID1900666

2H-1-Benzopyran-2-one, 7-(3-chloropropoxy)-

C12H11ClO3

PRODUCTS

产物

反应SMILES：O=c1ccc2ccc(OCCCNCC3COc4ccccc4O3)cc2o1

HCID9885549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20a43d05728146379aaa811f203e986f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cl:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]2[cH:22][cH:23][c:24](=[O:28])[o:25][c:26]2[cH:27]1.[I-:39].[Na+:38].[O:1]1[CH:2]([CH2:11][NH2:12])[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O:1]1[CH:2]([CH2:11][NH:12][CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]3[cH:22][cH:23][c:24](=[O:28])[o:25][c:26]3[cH:27]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2